24 citations · 40 across the 4 of their papers we have counts for
4 papers
A survey of the parallel performance and the accuracy of Poisson solvers for electronic structure calculations
Pablo García-Risueño, Joseba Alberdi-Rodriguez, Micael J. T. Oliveira +5
We present an analysis of different methods to calculate the classical electrostatic Hartree potential created by charge distributions. Our goal is to provide the reader with an es…
A review of High Performance Computing foundations for scientists
Pablo García-Risueño, Pablo E. Ibáñez
The increase of existing computational capabilities has made simulation emerge as a third discipline of Science, lying midway between experimental and purely theoretical branches […
Exact and efficient calculation of Lagrange multipliers in constrained biological polymers: Proteins and nucleic acids as example cases
Pablo García-Risueño, Pablo Echenique, José Luis Alonso
In order to accelerate molecular dynamics simulations, it is very common to impose holonomic constraints on their hardest degrees of freedom. In this way, the time step used to int…
Linearly scaling direct method for accurately inverting sparse banded matrices
Pablo García-Risueño, Pablo Echenique
In many problems in Computational Physics and Chemistry, one finds a special kind of sparse matrices, termed "banded matrices". These matrices, which are defined as having non-zero…